N-(4-chloranyl-2-nitro-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-nitro-phenyl)propanamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-2-nitro-phenyl)propionamide Formula: C17H18ClN5O3S MolecularWeight: 407.87452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])SC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])SC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C17H18ClN5O3S/c1-3-8-22-15(11-4-5-11)20-21-17(22)27-10(2)16(24)19-13-7-6-12(18)9-14(13)23(25)26/h3,6-7,9-11H,1,4-5,8H2,2H3,(H,19,24)